#------------------------------------------------------------------------------
#$Date: 2025-08-19 12:35:14 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301801 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/03/2020381.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020381
loop_
_publ_author_name
'Behm, H.'
_publ_section_title
;
 Rubidium Pentaborate Tetrahydrate, Rb (B5 O6 (O H)4) (H2 O)2
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              217
_journal_page_last               220
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'B5 H8 O12 Rb'
_chemical_name_systematic        'Rb B5 O6 (O H)4 (H2 O)2'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.302
_cell_length_b                   10.962
_cell_length_c                   9.335
_cell_volume                     1156.537
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Behm_ACSCEE_1984_1330.cif
_cod_data_source_block           H8B5O12Rb1
_cod_original_sg_symbol_H-M      'A b a 2'
_cod_original_formula_sum        'H8 B5 O12 Rb1'
_cod_database_code               2020381
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1,z+1/2
x+1/2,-y+1,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O6 O-2 0.023 0.1732 0.7488 1 0.0
O4 O-2 0.2389 0.1748 0.226 1 0.0
H4 H+1 0.2529 0.3322 0.1108 1 0.0
H1 H+1 1.0088 0.2592 0.7488 1 0.0
H3 H+1 0.2009 0.1687 0.7308 1 0.0
O1 O-2 0.0659 0.0852 0.3126 1 0.0
O2 O-2 0.0806 0.9293 0.4973 1 0.0
B3 B+3 0.1994 0.942 0.494 1 0.0
B1 B+3 0 0 0.4051 1 0.0
O5 O-2 0.2751 0.8795 0.5775 1 0.0
H2 H+1 0.9904 0.1405 0.6812 1 0.0
Rb1 Rb+1 0 0 0 1 0.0
O3 O-2 0.253 0.025 0.4047 1 0.0
B2 B+3 0.185 0.0941 0.3153 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139062218
